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3-butyl-7-ethyl-8-[5-(3-nitrophenyl)furan-2-yl]purine-2,6-dione

3-butyl-7-ethyl-8-[5-(3-nitrophenyl)furan-2-yl]purine-2,6-dione

Systemtic Name:3-butyl-7-ethyl-8-[5-(3-nitrophenyl)furan-2-yl]purine-2,6-dione
Openeye Name:3-butyl-7-ethyl-8-[5-(3-nitrophenyl)-2-furyl]purine-2,6-dione
CAS Name:3-butyl-7-ethyl-8-[5-(3-nitrophenyl)-2-furanyl]purine-2,6-dione
IUPAC Name:3-butyl-7-ethyl-8-[5-(3-nitrophenyl)furan-2-yl]purine-2,6-dione
Traditional Name:3-butyl-7-ethyl-8-[5-(3-nitrophenyl)-2-furyl]xanthine
Formula: C21H21N5O5
MolecularWeight: 423.42194
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])CC


Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])CC


InChI

InChI=1S/C21H21N5O5/c1-3-5-11-25-19-17(20(27)23-21(25)28)24(4-2)18(22-19)16-10-9-15(31-16)13-7-6-8-14(12-13)26(29)30/h6-10,12H,3-5,11H2,1-2H3,(H,23,27,28)


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